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PUBCHEM-ZINC03133938

 MMsINC code: MMs02999522
Type: Neutral
Formula: C14H12Cl2N2
SMILES:   ClC(Cl)=C(c1ccc(N)cc1)c1ccc(N)cc1
InChI:   InChI=1/C14H12Cl2N2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8H,17-18H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.8922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.17 g/mol  logS: -4.73558  SlogP: 3.97169  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134657  Sterimol/B1: 2.51935  Sterimol/B2: 4.12067  Sterimol/B3: 4.55399
  Sterimol/B4: 4.90411  Sterimol/L: 13.6685 
 
 Surface and Volume Properties
  Accessible surface: 481.136  Positive charged surface: 249.694  Negative charged surface: 231.442  Volume: 251
  Hydrophobic surface: 351.777  Hydrophilic surface: 129.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.